[4-[[1,3-benzodioxol-5-ylmethyl-[(3-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine

Systemtic Name: [4-[[1,3-benzodioxol-5-ylmethyl-[(3-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine Openeye Name: [4-[[1,3-benzodioxol-5-ylmethyl-[(3-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine CAS Name: [4-[[1,3-benzodioxol-5-ylmethyl-[(3-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine IUPAC Name: [4-[[1,3-benzodioxol-5-ylmethyl-[(3-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine Traditional Name: [4-(aminomethyl)cyclohexyl]methyl-(3-phenoxybenzyl)-piperonyl-amine Formula: C29H34N2O3 MolecularWeight: 458.59186

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)CN(CC2=CC(=CC=C2)OC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(CCC1CN)CN(CC2=CC(=CC=C2)OC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H34N2O3/c30-17-22-9-11-23(12-10-22)18-31(20-25-13-14-28-29(16-25)33-21-32-28)19-24-5-4-8-27(15-24)34-26-6-2-1-3-7-26/h1-8,13-16,22-23H,9-12,17-21,30H2